SCHEMBL12781995

SCHEMBL12781995

CCC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.70
HTT P42858 2/20 0.65
MAPK1 P28482 1/20 0.65
ALDH1A1 P00352 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
GAA P10253 2/20 0.62
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GRM5 P41594 6/20 0.60
HSD17B10 Q99714 1/20 0.60
AKR1C3 P42330 1/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 2/20 0.57
USP2 O75604 2/20 0.57
MITF O75030 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 2/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16255716 0.87 TSHR (0.72) TSHRHTTMAPK1ALDH1A1NPSR1
SCHEMBL1904905 0.86 AKR1C3 (0.61) TSHRHTTMAPK1ALDH1A1NPSR1
SCHEMBL1903214 0.86 GRM5 (0.64) TSHRNPSR1SMN1; SMN2GRM5AKR1C3
SCHEMBL8233902 0.85 GRM5 (0.61) TSHRHTTMAPK1ALDH1A1NPSR1
SCHEMBL14791855 0.85 ALDH1A1 (0.57) TSHRHTTMAPK1ALDH1A1NPSR1
SCHEMBL22892249 0.85 TSHR (0.62) TSHRHTTMAPK1ALDH1A1NPSR1
SCHEMBL12139694 0.83 TSHR (0.54) TSHRHTTMAPK1ALDH1A1NPSR1
SCHEMBL22892259 0.82 LMNA (0.59) TSHRHTTMAPK1ALDH1A1NPSR1
SCHEMBL12781876 0.81 TSHR (0.61) TSHRALDH1A1NPSR1PKMSMN1; SMN2
SCHEMBL23777678 0.81 AKR1C3 (0.66) MAPK1ALDH1A1GRM5AKR1C3KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS NQO1, NQO2, NDUFV1 TSHR 4507/4885HTT 1878/4885MAPK1 1322/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.